SCHEMBL8081769

SCHEMBL8081769

COC(=O)CC(=O)COC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 2/20 0.50
GAA P10253 2/20 0.50
SI P14410 2/20 0.50
MGAM2 Q2M2H8 2/20 0.50
TSHR P16473 4/20 0.42
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
FAAH O00519 1/20 0.37
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
PGR P06401 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
HTR1A P08908 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRM3 P20309 1/20 0.33
TBXA2R P21731 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2706963 0.85 ALDH1A1 (0.48) GAATSHRALDH1A1HSD17B10LMNA
SCHEMBL2607864 0.82
SCHEMBL561195 0.82 GAA (0.58) MGAMGAASIMGAM2TSHR
SCHEMBL14534258 0.82 MGAM (0.46) MGAMGAASIMGAM2TSHR
Methyl Alcohol SCHEMBL10632152 0.80 GAA (0.56) MGAMGAASIMGAM2TSHR
SCHEMBL3037432 0.80 MGAM (0.48) MGAMGAASIMGAM2TSHR
SCHEMBL5171320 0.80 ALDH1A1 (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL10660310 0.79 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL11469977 0.79 GAA (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL311876 0.79 ALDH1A1 (0.53) GAATSHRALDH1A1HSD17B10LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449580-B2 Ticlopidine and clopidogrel simply prepared by reacting a substituted thiophene derivative with a 2-chlorobenzylamine derivative HANMI PHARM. CO., LTD (KR) 2008-11-11 US disclosed
US-20070197789-A1 Method of preparing thieno[3,2-c]pyridine derivatives and intermediates used therein HANMI PHARM, CO., LTD. 2007-08-23 US disclosed
US-6121284-A SPECIFIED 1-(ALKYL OR CYCLOALKYL)-2-METHYL-3-(ALKOXYCARBONYL)-4-(SUBSTITUTED PYRIDYL OR ARYL)-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE COMPOUNDS; TREATING SICKLE CELL ANEMIA, PSYCHOSES, DEPRESSION BAYER AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
CN-1127250-A 2,3-bridged 1,4-dihydropyridines, process for their preparation and their use as medicaments BAYER AG (DE) 1996-07-24 CN disclosed
EP-0245315-B1 PROCESS FOR PREPARING $g(a)-HYDROXY CARBONYL COMPOUNDS L. GIVAUDAN & CIE Société Anonyme (CH) 1990-04-11 EP disclosed
US-4892966-A FLAVORS FOR FOODS, TOBACCO GIVAUDAN CORPORATION (US) 1990-01-09 US disclosed
US-4766213-A 1,4-dihydropyridines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-08-23 US disclosed
EP-0245315-A1 PROCESS FOR PREPARING -g(a)-HYDROXY CARBONYL COMPOUNDS. GIVAUDAN & CIE SA (CH) 1987-11-19 EP disclosed
US-4188395-A 1,4-Dihydropyridine derivatives substituted in the 2 position, and their use as medicaments BAYER AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070197789-A1 Method of preparing thieno[3,2-c]pyridine derivatives and intermediates used therein PFKP, THPO, TBXA2R MGAM 2715/4885GAA 2291/4885SI 1856/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.